3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(5-ethyl-4-phenyl-thiazol-2-yl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(5-ethyl-4-phenyl-2-thiazolyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(5-ethyl-4-phenyl-thiazol-2-yl)propionamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3S/c1-4-14-16(13-8-6-5-7-9-13)24-20(31-14)23-15(28)10-11-27-12-22-18-17(27)19(29)26(3)21(30)25(18)2/h5-9,12H,4,10-11H2,1-3H3,(H,23,24,28)