2-[[1-[3-(aminomethyl)phenyl]propan-2-ylamino]-pyrimidin-4-yl-amino]-3-methyl-6-phenyl-pyrimidin-4-one

Systemtic Name: 2-[[1-[3-(aminomethyl)phenyl]propan-2-ylamino]-pyrimidin-4-yl-amino]-3-methyl-6-phenyl-pyrimidin-4-one Openeye Name: 2-[[[2-[3-(aminomethyl)phenyl]-1-methyl-ethyl]amino]-pyrimidin-4-yl-amino]-3-methyl-6-phenyl-pyrimidin-4-one CAS Name: 2-[[1-[3-(aminomethyl)phenyl]propan-2-ylamino]-(4-pyrimidinyl)amino]-3-methyl-6-phenyl-4-pyrimidinone IUPAC Name: 2-[[1-[3-(aminomethyl)phenyl]propan-2-ylamino]-pyrimidin-4-ylamino]-3-methyl-6-phenylpyrimidin-4-one Traditional Name: 2-[[[2-[3-(aminomethyl)phenyl]-1-methyl-ethyl]amino]-(4-pyrimidyl)amino]-3-methyl-6-phenyl-pyrimidin-4-one Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)CN)NN(C2=NC=NC=C2)C3=NC(=CC(=O)N3C)C4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC(=CC=C1)CN)NN(C2=NC=NC=C2)C3=NC(=CC(=O)N3C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N7O/c1-18(13-19-7-6-8-20(14-19)16-26)30-32(23-11-12-27-17-28-23)25-29-22(15-24(33)31(25)2)21-9-4-3-5-10-21/h3-12,14-15,17-18,30H,13,16,26H2,1-2H3