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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H18N6O3S/c1-10-4-5-11-12(8-10)28-17(20-11)21-13(25)6-7-24-9-19-15-14(24)16(26)23(3)18(27)22(15)2/h4-5,8-9H,6-7H2,1-3H3,(H,20,21,25)