N-(1,3-benzothiazol-2-ylmethyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-methyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-methyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-methyl-propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-methylpropanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-methyl-propionamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N6O3S/c1-22(10-14-21-12-6-4-5-7-13(12)29-14)15(26)8-9-25-11-20-17-16(25)18(27)24(3)19(28)23(17)2/h4-7,11H,8-10H2,1-3H3