azanyl 2-[2-azanyl-5-methyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethanesulfonate; (4-methylphenyl)methanamine

Systemtic Name: azanyl 2-[2-azanyl-5-methyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethanesulfonate; (4-methylphenyl)methanamine Openeye Name: amino 2-[2-amino-5-methyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethanesulfonate; p-tolylmethanamine CAS Name: 2-[2-amino-5-methyl-6-(3-nitrophenyl)-4-pyrimidinyl]ethanesulfonic acid amino ester; (4-methylphenyl)methanamine IUPAC Name: amino 2-[2-amino-5-methyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethanesulfonate; (4-methylphenyl)methanamine Traditional Name: 2-[2-amino-5-methyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethanesulfonic acid amino ester; (4-methylbenzyl)amine Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN.CC1=C(N=C(N=C1CCS(=O)(=O)ON)N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN.CC1=C(N=C(N=C1CCS(=O)(=O)ON)N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S.C8H11N/c1-8-11(5-6-24(21,22)23-15)16-13(14)17-12(8)9-3-2-4-10(7-9)18(19)20;1-7-2-4-8(6-9)5-3-7/h2-4,7H,5-6,15H2,1H3,(H2,14,16,17);2-5H,6,9H2,1H3