N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-nitro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-veratryl-amine Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C4=CN=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C4=CN=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N5O4S/c1-28-15-6-5-12(8-16(15)29-2)10-22-19-14-9-17(25(26)27)30-20(14)24-18(23-19)13-4-3-7-21-11-13/h3-9,11H,10H2,1-2H3,(H,22,23,24)