8-cyclopentyl-6-ethanoyl-5-methyl-2-[(5-piperazin-4-ium-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 8-cyclopentyl-6-ethanoyl-5-methyl-2-[(5-piperazin-4-ium-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-4-ium-1-yl-2-pyridyl)amino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazin-4-iumyl)-2-pyridinyl]amino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-4-ium-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-4-ium-1-yl-2-pyridyl)amino]pyrido[2,3-d]pyrimidin-7-one Formula: C24H30N7O2+ MolecularWeight: 448.5407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CC[NH2+]CC4)C5CCCC5)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CC[NH2+]CC4)C5CCCC5)C(=O)C

InChI

InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)/p+1