3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)pyrimidin-4-one

Systemtic Name: 3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)pyrimidin-4-one Openeye Name: 3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)pyrimidin-4-one CAS Name: 3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-4-pyrimidinone IUPAC Name: 3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)pyrimidin-4-one Traditional Name: 3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothien[2,3-d]azepin-6-yl)pyrimidin-4-one Formula: C15H18N4O3S MolecularWeight: 334.39342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=C(CC2)SC=C3)C

Isomeric SMILES

CCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=C(CC2)SC=C3)C

InChI

InChI=1S/C15H18N4O3S/c1-3-18-10(2)16-14(13(15(18)20)19(21)22)17-7-4-11-6-9-23-12(11)5-8-17/h6,9H,3-5,7-8H2,1-2H3