4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzaldehyde

Systemtic Name: 4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzaldehyde Openeye Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[(4,6-diamino-2-pyrimidinyl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-nitrobenzaldehyde Traditional Name: 4-[(4,6-diaminopyrimidin-2-yl)thio]-3-nitro-benzaldehyde Formula: C11H9N5O3S MolecularWeight: 291.28586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=O)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C11H9N5O3S/c12-9-4-10(13)15-11(14-9)20-8-2-1-6(5-17)3-7(8)16(18)19/h1-5H,(H4,12,13,14,15)