Q7S
Summary
| Name: | 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
| Formula: | C10 H14 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 254.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.7 | 5-[(~{E})-2-oxidanylidenepropylideneamino]-6-(3-oxidanylpropylamino)-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)([C@H]=NC=1C(=O)NC(NC=1NCCCO)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O4/c1-6(16)5-12-7-8(11-3-2-4-15)13-10(18)14-9(7)17/h5,15H,2-4H2,1H3,(H3,11,13,14,17,18)/b12-5+ |
| InChIKey | InChI | 1.03 | RCQDRIITDZKOID-LFYBBSHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C=NC1=C(NCCCO)NC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC(=O)C=NC1=C(NCCCO)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCO |
