(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-thiomorpholin-4-ylpyridin-3-yl)methanone

Systemtic Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-thiomorpholin-4-ylpyridin-3-yl)methanone Openeye Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-thiomorpholino-3-pyridyl)methanone CAS Name: [4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-(6-thiomorpholin-4-yl-3-pyridinyl)methanone IUPAC Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-thiomorpholin-4-ylpyridin-3-yl)methanone Traditional Name: [4-(2-pyrimidyl)-1,4-diazepan-1-yl]-(6-thiomorpholino-3-pyridyl)methanone Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)N3CCSCC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)N3CCSCC3)C4=NC=CC=N4

InChI

InChI=1S/C19H24N6OS/c26-18(16-3-4-17(22-15-16)23-11-13-27-14-12-23)24-7-2-8-25(10-9-24)19-20-5-1-6-21-19/h1,3-6,15H,2,7-14H2