2-[(3-chloranyl-4-piperazin-1-yl-phenyl)amino]-5-methyl-8-propan-2-yl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-[(3-chloranyl-4-piperazin-1-yl-phenyl)amino]-5-methyl-8-propan-2-yl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-(3-chloro-4-piperazin-1-yl-anilino)-8-isopropyl-5-methyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[3-chloro-4-(1-piperazinyl)anilino]-5-methyl-8-propan-2-yl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-(3-chloro-4-piperazino-anilino)-8-isopropyl-5-methyl-pyrido[2,3-d]pyrimidin-7-one Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=NC(=NC=C12)NC3=CC(=C(C=C3)N4CCNCC4)Cl)C(C)C

Isomeric SMILES

CC1=CC(=O)N(C2=NC(=NC=C12)NC3=CC(=C(C=C3)N4CCNCC4)Cl)C(C)C

InChI

InChI=1S/C21H25ClN6O/c1-13(2)28-19(29)10-14(3)16-12-24-21(26-20(16)28)25-15-4-5-18(17(22)11-15)27-8-6-23-7-9-27/h4-5,10-13,23H,6-9H2,1-3H3,(H,24,25,26)