2-[[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]amino]-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-[[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]amino]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]-1,3-benzoxazole-5-carboxamide CAS Name: 2-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]anilino]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]-1,3-benzoxazole-5-carboxamide Formula: C30H34N10O2 MolecularWeight: 566.65676

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NC6=NC7=C(O6)C=CC(=C7)C(=O)N)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NC6=NC7=C(O6)C=CC(=C7)C(=O)N)C(=NC=N4)N

InChI

InChI=1S/C30H34N10O2/c1-38-12-14-39(15-13-38)21-7-9-22(10-8-21)40-29-25(27(31)33-17-34-29)26(37-40)18-2-5-20(6-3-18)35-30-36-23-16-19(28(32)41)4-11-24(23)42-30/h2-6,11,16-17,21-22H,7-10,12-15H2,1H3,(H2,32,41)(H,35,36)(H2,31,33,34)