4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(3-methylthiophen-2-yl)methyl]butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(3-methylthiophen-2-yl)methyl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(3-methyl-2-thienyl)methyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(3-methyl-2-thiophenyl)methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(3-methyl-2-thienyl)methyl]butyramide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O3S/c1-11-6-8-26-12(11)9-18-13(23)5-4-7-22-10-19-15-14(22)16(24)21(3)17(25)20(15)2/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,23)