5-azanyl-1-[4,6-bis[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[4,6-bis[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[4,6-bis(p-anisidino)-s-triazin-2-yl]pyrazole-4-carbonitrile Formula: C21H19N9O2 MolecularWeight: 429.43466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3C(=C(C=N3)C#N)N)NC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3C(=C(C=N3)C#N)N)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N9O2/c1-31-16-7-3-14(4-8-16)25-19-27-20(26-15-5-9-17(32-2)10-6-15)29-21(28-19)30-18(23)13(11-22)12-24-30/h3-10,12H,23H2,1-2H3,(H2,25,26,27,28,29)