1-heptyl-5-(1H-pyrrol-2-ylmethylidene)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-heptyl-5-(1H-pyrrol-2-ylmethylidene)-1,3-diazinane-2,4,6-trione Openeye Name: 1-heptyl-5-(1H-pyrrol-2-ylmethylene)hexahydropyrimidine-2,4,6-trione CAS Name: 1-heptyl-5-(1H-pyrrol-2-ylmethylidene)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-heptyl-5-(1H-pyrrol-2-ylmethylidene)-1,3-diazinane-2,4,6-trione Traditional Name: 1-heptyl-5-(1H-pyrrol-2-ylmethylene)barbituric acid Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CC=CN2)C(=O)NC1=O

Isomeric SMILES

CCCCCCCN1C(=O)C(=CC2=CC=CN2)C(=O)NC1=O

InChI

InChI=1S/C16H21N3O3/c1-2-3-4-5-6-10-19-15(21)13(14(20)18-16(19)22)11-12-8-7-9-17-12/h7-9,11,17H,2-6,10H2,1H3,(H,18,20,22)