47Y
Summary
| Name: | 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine |
| Formula: | C13 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 248.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine |
| OpenEye OEToolkits | 1.9.2 | 3-(4-azanylidene-5,6-dimethyl-furo[2,3-d]pyrimidin-3-yl)-N,N-dimethyl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1=CN(C(=[N@H])c2c(c(oc12)C)C)CCCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H20N4O/c1-9-10(2)18-13-11(9)12(14)17(8-15-13)7-5-6-16(3)4/h8,14H,5-7H2,1-4H3/b14-12+ |
| InChIKey | InChI | 1.03 | BVYQUDYGRJSOAT-WYMLVPIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCN1C=Nc2oc(C)c(C)c2C1=N |
| SMILES | CACTVS | 3.385 | CN(C)CCCN1C=Nc2oc(C)c(C)c2C1=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(oc2c1C(=N)N(C=N2)CCCN(C)C)C |
