N-(1,3-benzodioxol-5-ylmethyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-piperonyl-butyramide Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N5O5/c1-22-17-16(18(26)23(2)19(22)27)24(10-21-17)7-3-4-15(25)20-9-12-5-6-13-14(8-12)29-11-28-13/h5-6,8,10H,3-4,7,9,11H2,1-2H3,(H,20,25)