ethyl (E)-3-[4-azanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[4-azanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]but-2-enoate Openeye Name: ethyl (E)-3-[4-amino-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidin-5-yl]but-2-enoate CAS Name: (E)-3-[4-amino-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-amino-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]but-2-enoate Traditional Name: (E)-3-[4-amino-2-[(5-piperazino-2-pyridyl)amino]pyrimidin-5-yl]but-2-enoic acid ethyl ester Formula: C19H25N7O2 MolecularWeight: 383.4475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1=CN=C(N=C1N)NC2=NC=C(C=C2)N3CCNCC3

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1=CN=C(N=C1N)NC2=NC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C19H25N7O2/c1-3-28-17(27)10-13(2)15-12-23-19(25-18(15)20)24-16-5-4-14(11-22-16)26-8-6-21-7-9-26/h4-5,10-12,21H,3,6-9H2,1-2H3,(H3,20,22,23,24,25)/b13-10+