1,3-diazinane-2,4,6-trione; 4-(6-methyl-1H-benzimidazol-2-yl)aniline

Systemtic Name: 1,3-diazinane-2,4,6-trione; 4-(6-methyl-1H-benzimidazol-2-yl)aniline Openeye Name: hexahydropyrimidine-2,4,6-trione; 4-(6-methyl-1H-benzimidazol-2-yl)aniline CAS Name: 1,3-diazinane-2,4,6-trione; 4-(6-methyl-1H-benzimidazol-2-yl)aniline IUPAC Name: 1,3-diazinane-2,4,6-trione; 4-(6-methyl-1H-benzimidazol-2-yl)aniline Traditional Name: barbituric acid; [4-(6-methyl-1H-benzimidazol-2-yl)phenyl]amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N.C1C(=O)NC(=O)NC1=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N.C1C(=O)NC(=O)NC1=O

InChI

InChI=1S/C14H13N3.C4H4N2O3/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10;7-2-1-3(8)6-4(9)5-2/h2-8H,15H2,1H3,(H,16,17);1H2,(H2,5,6,7,8,9)