A1CX3
Summary
| Name: | (4M)-4-{4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1-methyl-1H-pyrazole-5-carbonitrile |
| Formula: | C16 H16 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 352.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4M)-4-{4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1-methyl-1H-pyrazole-5-carbonitrile |
| OpenEye OEToolkits | 3.1.0.0 | 4-[4-[(4,4-dimethyl-2-oxidanylidene-1,3-oxazolidin-3-yl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]-2-methyl-pyrazole-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1(C)COC(=O)N1Nc1ncnc2[NH]c(cc12)c1cnn(C)c1C#N |
| InChI | InChI | 1.06 | InChI=1S/C16H16N8O2/c1-16(2)7-26-15(25)24(16)22-14-9-4-11(21-13(9)18-8-19-14)10-6-20-23(3)12(10)5-17/h4,6,8H,7H2,1-3H3,(H2,18,19,21,22) |
| InChIKey | InChI | 1.06 | QOWUTZHTGJXGLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(c2[nH]c3ncnc(NN4C(=O)OCC4(C)C)c3c2)c1C#N |
| SMILES | CACTVS | 3.385 | Cn1ncc(c2[nH]c3ncnc(NN4C(=O)OCC4(C)C)c3c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1(COC(=O)N1Nc2c3cc([nH]c3ncn2)c4cnn(c4C#N)C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1(COC(=O)N1Nc2c3cc([nH]c3ncn2)c4cnn(c4C#N)C)C |
