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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-dichlorobenzyl)-(6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C17H10Cl2N6O2S MolecularWeight: 433.2713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C3C=C(SC3=NC(=N2)C4=NC=CN=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C3C=C(SC3=NC(=N2)C4=NC=CN=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C17H10Cl2N6O2S/c18-11-2-1-9(5-12(11)19)7-22-15-10-6-14(25(26)27)28-17(10)24-16(23-15)13-8-20-3-4-21-13/h1-6,8H,7H2,(H,22,23,24)