N-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-6-nitro-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-6-nitro-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-(6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C17H13ClN6O3S MolecularWeight: 416.84152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=CC=N4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=CC=N4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN6O3S/c1-27-13-4-3-10(7-12(13)18)9-19-15-11-8-14(24(25)26)28-16(11)22-17(21-15)23-6-2-5-20-23/h2-8H,9H2,1H3,(H,19,21,22)