2-[2-[(2-azanyl-3-phenyl-propyl)amino]-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-5-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2-azanyl-3-phenyl-propyl)amino]-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-5-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(2-amino-3-phenyl-propyl)amino]-1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-5-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-amino-3-phenylpropyl)amino]-1-methyl-6-oxo-4-pyridin-4-yl-5-pyrimidinyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2-amino-3-phenylpropyl)amino]-1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-5-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-amino-3-phenyl-propyl)amino]-6-keto-1-methyl-4-(4-pyridyl)pyrimidin-5-yl]isoindoline-1,3-quinone Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)N)C3=CC=NC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)N)C3=CC=NC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H24N6O3/c1-32-26(36)23(33-24(34)20-9-5-6-10-21(20)25(33)35)22(18-11-13-29-14-12-18)31-27(32)30-16-19(28)15-17-7-3-2-4-8-17/h2-14,19H,15-16,28H2,1H3,(H,30,31)