N6-(1-methyl-1-oxidanidyl-piperidin-1-ium-4-yl)-N4-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(1-methyl-1-oxidanidyl-piperidin-1-ium-4-yl)-N4-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(1-methyl-1-oxido-piperidin-1-ium-4-yl)-N4-(m-tolyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N6-(1-methyl-1-oxido-4-piperidin-1-iumyl)-N4-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: (1-methyl-1-oxido-piperidin-1-ium-4-yl)-[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amine Formula: C19H23N7O MolecularWeight: 365.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C19H23N7O/c1-13-4-3-5-15(10-13)23-18-17-16(21-12-22-18)11-20-19(25-17)24-14-6-8-26(2,27)9-7-14/h3-5,10-12,14H,6-9H2,1-2H3,(H,20,24,25)(H,21,22,23)