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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-phenylmethoxypropyl)butanamide Openeye Name: N-(3-benzyloxypropyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-phenylmethoxypropyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenylmethoxypropyl)butanamide Traditional Name: N-(3-benzoxypropyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCCCOCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCCCOCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4/c1-24-19-18(20(28)25(2)21(24)29)26(15-23-19)12-6-10-17(27)22-11-7-13-30-14-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,22,27)