6-ethynyl-2-[(6-piperazin-1-ylpyridin-3-yl)amino]-8-propan-2-yl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 6-ethynyl-2-[(6-piperazin-1-ylpyridin-3-yl)amino]-8-propan-2-yl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 6-ethynyl-8-isopropyl-2-[(6-piperazin-1-yl-3-pyridyl)amino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 6-ethynyl-2-[[6-(1-piperazinyl)-3-pyridinyl]amino]-8-propan-2-yl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 6-ethynyl-2-[(6-piperazin-1-ylpyridin-3-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 6-ethynyl-8-isopropyl-2-[(6-piperazino-3-pyridyl)amino]pyrido[2,3-d]pyrimidin-7-one Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC(=NC=C2C=C(C1=O)C#C)NC3=CN=C(C=C3)N4CCNCC4

Isomeric SMILES

CC(C)N1C2=NC(=NC=C2C=C(C1=O)C#C)NC3=CN=C(C=C3)N4CCNCC4

InChI

InChI=1S/C21H23N7O/c1-4-15-11-16-12-24-21(26-19(16)28(14(2)3)20(15)29)25-17-5-6-18(23-13-17)27-9-7-22-8-10-27/h1,5-6,11-14,22H,7-10H2,2-3H3,(H,24,25,26)