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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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