6-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine

Systemtic Name: 6-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine Openeye Name: 6-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine CAS Name: 6-(6-ethoxy-2-methyl-5-nitro-4-pyrimidinyl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine IUPAC Name: 6-(6-ethoxy-2-methyl-5-nitropyrimidin-4-yl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine Traditional Name: 6-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-4,5,7,8-tetrahydrothien[2,3-d]azepine Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=C(CC2)SC=C3)C

Isomeric SMILES

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=C(CC2)SC=C3)C

InChI

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