[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-2-methoxy-phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-2-methoxy-phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone Openeye Name: [4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-2-methoxy-phenyl]-(4-pyrrolidin-1-yl-1-piperidyl)methanone CAS Name: [4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]-2-methoxyphenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone IUPAC Name: [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-2-methoxyphenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone Traditional Name: [4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-2-methoxy-phenyl]-(4-pyrrolidinopiperidino)methanone Formula: C29H31N5O2S MolecularWeight: 513.65374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3)C(=O)N5CCC(CC5)N6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3)C(=O)N5CCC(CC5)N6CCCC6

InChI

InChI=1S/C29H31N5O2S/c1-36-25-19-21(8-9-23(25)28(35)34-16-11-22(12-17-34)33-14-4-5-15-33)31-29-30-13-10-24(32-29)27-18-20-6-2-3-7-26(20)37-27/h2-3,6-10,13,18-19,22H,4-5,11-12,14-17H2,1H3,(H,30,31,32)