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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-propanamide Openeye Name: N-allyl-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-phenylthiazol-2-yl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-phenyl-2-thiazolyl)-N-prop-2-enylpropanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide Traditional Name: N-allyl-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-phenylthiazol-2-yl)propionamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N(CC=C)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N(CC=C)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O3S/c1-4-11-28(21-24-16(13-32-21)15-8-6-5-7-9-15)17(29)10-12-27-14-23-19-18(27)20(30)26(3)22(31)25(19)2/h4-9,13-14H,1,10-12H2,2-3H3