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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(3-methoxyphenyl)methyl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(3-methoxyphenyl)methyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(3-methoxyphenyl)methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methoxyphenyl)methyl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-m-anisyl-butyramide Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H23N5O4/c1-22-17-16(18(26)23(2)19(22)27)24(12-21-17)9-5-8-15(25)20-11-13-6-4-7-14(10-13)28-3/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,20,25)