[4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-yl-methanone Openeye Name: [4-(azepan-1-yl)-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-thienyl)methanone CAS Name: [4-(1-azepanyl)-2-(3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone Traditional Name: [4-(azepan-1-yl)-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-thienyl)methanone Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)C(=O)C4=CC=CS4)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)C(=O)C4=CC=CS4)C5=CN=CC=C5

InChI

InChI=1S/C23H25N5OS/c29-23(20-8-6-14-30-20)28-13-9-19-18(16-28)22(27-11-3-1-2-4-12-27)26-21(25-19)17-7-5-10-24-15-17/h5-8,10,14-15H,1-4,9,11-13,16H2