29H
Summary
| Name: | 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one |
| Formula: | C6 H5 N5 O |
| Formal charge: | 0 |
| Formula weight: | 163.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-3H-pyrimido[4,5-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2cncnc2N=C(N)N1 |
| InChI | InChI | 1.03 | InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)1-8-2-9-4/h1-2H,(H3,7,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | HHOGMIYMABYION-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2ncncc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2ncncc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(ncn1)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(ncn1)N=C(NC2=O)N |
