5-(nonan-5-yliminomethyl)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(nonan-5-yliminomethyl)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-(1-butylpentyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(nonan-5-yliminomethyl)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-(nonan-5-yliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-(1-butylpentyliminomethyl)barbituric acid Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)N=CC1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(CCCC)N=CC1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O3/c1-3-5-12-17(13-6-4-2)22-14-18-19(25)23-21(27)24(20(18)26)15-16-10-8-7-9-11-16/h7-11,14,17-18H,3-6,12-13,15H2,1-2H3,(H,23,25,27)