3-(4-azanyl-3-methoxy-phenyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-azanyl-3-methoxy-phenyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-amino-3-methoxy-phenyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-amino-3-methoxyphenyl)-1-(4-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-amino-3-methoxyphenyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-amino-3-methoxy-phenyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H15N7O3 MolecularWeight: 377.3568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C18H15N7O3/c1-28-14-8-10(2-7-13(14)19)16-15-17(20)21-9-22-18(15)24(23-16)11-3-5-12(6-4-11)25(26)27/h2-9H,19H2,1H3,(H2,20,21,22)