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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-6-nitro-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-6-nitro-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-(6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C18H13ClN6O3S MolecularWeight: 428.85222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN6O3S/c1-28-14-3-2-10(6-12(14)19)8-22-16-11-7-15(25(26)27)29-18(11)24-17(23-16)13-9-20-4-5-21-13/h2-7,9H,8H2,1H3,(H,22,23,24)