6-(1,3-benzodioxol-5-yl)-7-(5-nitrothiophen-2-yl)pyrido[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-7-(5-nitrothiophen-2-yl)pyrido[2,3-d]pyrimidin-4-amine Openeye Name: 6-(1,3-benzodioxol-5-yl)-7-(5-nitro-2-thienyl)pyrido[2,3-d]pyrimidin-4-amine CAS Name: 6-(1,3-benzodioxol-5-yl)-7-(5-nitro-2-thiophenyl)-4-pyrido[2,3-d]pyrimidinamine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-7-(5-nitrothiophen-2-yl)pyrido[2,3-d]pyrimidin-4-amine Traditional Name: [6-(1,3-benzodioxol-5-yl)-7-(5-nitro-2-thienyl)pyrido[2,3-d]pyrimidin-4-yl]amine Formula: C18H11N5O4S MolecularWeight: 393.37604

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N=C4C(=C3)C(=NC=N4)N)C5=CC=C(S5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N=C4C(=C3)C(=NC=N4)N)C5=CC=C(S5)[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O4S/c19-17-11-6-10(9-1-2-12-13(5-9)27-8-26-12)16(22-18(11)21-7-20-17)14-3-4-15(28-14)23(24)25/h1-7H,8H2,(H2,19,20,21,22)