methyl 2-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23N5O2/c1-25(13-15-9-5-4-6-10-15)19-18(22)20(24-14-23-19)26(2)17-12-8-7-11-16(17)21(27)28-3/h4-12,14H,13,22H2,1-3H3