phenyl 2-[4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]butanoylamino]ethanoate

Systemtic Name: phenyl 2-[4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]butanoylamino]ethanoate Openeye Name: phenyl 2-[4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]butanoylamino]acetate CAS Name: 2-[[4-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-methylamino]-1-oxobutyl]amino]acetic acid phenyl ester IUPAC Name: phenyl 2-[4-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-methylamino]butanoylamino]acetate Traditional Name: 2-[4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]butanoylamino]acetic acid phenyl ester Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N(C)CCCC(=O)NCC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N(C)CCCC(=O)NCC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H24N6O3/c1-16-13-18(25-21(24-16)27-12-10-22-15-27)26(2)11-6-9-19(28)23-14-20(29)30-17-7-4-3-5-8-17/h3-5,7-8,10,12-13,15H,6,9,11,14H2,1-2H3,(H,23,28)