N6-[(4-methoxyphenyl)methyl]-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N5O4/c1-11(9-24-2)20-16-14(21(22)23)15(18-10-19-16)17-8-12-4-6-13(25-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18,19,20)