A1CYM
Summary
| Name: | N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide |
| Formula: | C17 H17 N5 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 403.479 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-~{N}-[3-(4-azanylthieno[3,2-d]pyrimidin-6-yl)phenyl]sulfonylpyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1)C1CCCN1 |
| InChI | InChI | 1.06 | InChI=1S/C17H17N5O3S2/c18-16-15-13(20-9-21-16)8-14(26-15)10-3-1-4-11(7-10)27(24,25)22-17(23)12-5-2-6-19-12/h1,3-4,7-9,12,19H,2,5-6H2,(H,22,23)(H2,18,20,21)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | CYQWGKZIYYOYCD-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2cc(sc12)c3cccc(c3)[S](=O)(=O)NC(=O)[C@@H]4CCCN4 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2cc(sc12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)S(=O)(=O)NC(=O)[C@@H]2CCCN2)c3cc4c(s3)c(ncn4)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)S(=O)(=O)NC(=O)C2CCCN2)c3cc4c(s3)c(ncn4)N |
