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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-dichlorobenzyl)-(6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C16H10Cl2N6O2S MolecularWeight: 421.2606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CN(N=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C16H10Cl2N6O2S/c17-11-3-2-9(6-12(11)18)8-19-14-10-7-13(24(25)26)27-15(10)22-16(21-14)23-5-1-4-20-23/h1-7H,8H2,(H,19,21,22)