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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-piperonyl-propionamide Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H19N5O5/c1-10(16(24)19-7-11-4-5-12-13(6-11)28-9-27-12)23-8-20-15-14(23)17(25)22(3)18(26)21(15)2/h4-6,8,10H,7,9H2,1-3H3,(H,19,24)