2-azanyl-7-azanylidene-3-(1,3-benzodioxol-5-ylhydrazinylidene)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 2-azanyl-7-azanylidene-3-(1,3-benzodioxol-5-ylhydrazinylidene)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 2-amino-3-(1,3-benzodioxol-5-ylhydrazono)-7-imino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 2-amino-3-(1,3-benzodioxol-5-ylhydrazinylidene)-7-imino-5-(4-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 2-amino-3-(1,3-benzodioxol-5-ylhydrazinylidene)-7-imino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 2-amino-3-(1,3-benzodioxol-5-ylhydrazono)-7-imino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C21H16N8O3 MolecularWeight: 428.40354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=N)N3C(=N2)C(=NNC4=CC5=C(C=C4)OCO5)C(=N3)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=N)N3C(=N2)C(=NNC4=CC5=C(C=C4)OCO5)C(=N3)N)C#N

InChI

InChI=1S/C21H16N8O3/c1-30-13-5-2-11(3-6-13)17-14(9-22)20(24)29-21(25-17)18(19(23)28-29)27-26-12-4-7-15-16(8-12)32-10-31-15/h2-8,24,26H,10H2,1H3,(H2,23,28)