2-[[2-azanyl-3-(3-chlorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[[2-azanyl-3-(3-chlorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[[2-amino-3-(3-chlorophenyl)propyl]amino]-3,5-dimethyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[2-amino-3-(3-chlorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[[2-amino-3-(3-chlorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[[2-amino-3-(3-chlorophenyl)propyl]amino]-3,5-dimethyl-6-(4-pyridyl)pyrimidin-4-one Formula: C20H22ClN5O MolecularWeight: 383.87458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)C)NCC(CC2=CC(=CC=C2)Cl)N)C3=CC=NC=C3

Isomeric SMILES

CC1=C(N=C(N(C1=O)C)NCC(CC2=CC(=CC=C2)Cl)N)C3=CC=NC=C3

InChI

InChI=1S/C20H22ClN5O/c1-13-18(15-6-8-23-9-7-15)25-20(26(2)19(13)27)24-12-17(22)11-14-4-3-5-16(21)10-14/h3-10,17H,11-12,22H2,1-2H3,(H,24,25)