(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

Systemtic Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone Openeye Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5-pyrrolidin-2-yl-2-thienyl)methanone CAS Name: [4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-[5-(2-pyrrolidinyl)-2-thiophenyl]methanone IUPAC Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone Traditional Name: [4-(2-pyrimidyl)-1,4-diazepan-1-yl]-(5-pyrrolidin-2-yl-2-thienyl)methanone Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=CC=C(S2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC(NC1)C2=CC=C(S2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H23N5OS/c24-17(16-6-5-15(25-16)14-4-1-7-19-14)22-10-3-11-23(13-12-22)18-20-8-2-9-21-18/h2,5-6,8-9,14,19H,1,3-4,7,10-13H2