B4L
Summary
| Name: | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
| Formula: | C13 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 261.323 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19N5O/c1-17-7-3-4-9(8-17)15-13-16-10-5-6-14-11(10)12(19)18(13)2/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | DIBDHOFCFXCFCB-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C |
| SMILES | CACTVS | 3.385 | CN1CCC[CH](C1)NC2=Nc3cc[nH]c3C(=O)N2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCCC(C1)NC2=Nc3cc[nH]c3C(=O)N2C |
