phenyl 2-(2-azanylethylcarbamoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(4-methylbenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-p-toluoyl-hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-16-8-10-17(11-9-16)21(28)25-14-5-15-26(20(25)19(27)24-13-12-23)22(29)30-18-6-3-2-4-7-18/h2-4,6-11,20H,5,12-15,23H2,1H3,(H,24,27)