4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]-3-nitro-benzaldehyde Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCC2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=C1CCC2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O3S/c1-9-11-3-2-4-12(11)17-15(16-9)22-14-6-5-10(8-19)7-13(14)18(20)21/h5-8H,2-4H2,1H3