N4-cyclopropyl-N2-methyl-5-nitro-N2-[(4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-methyl-5-nitro-N2-[(4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: N2-[(4-allyloxyphenyl)methyl]-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-methyl-5-nitro-N2-[(4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-methyl-5-nitro-2-N-[(4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: (4-allyloxybenzyl)-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-methyl-amine Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-3-10-26-15-8-4-13(5-9-15)12-22(2)18-19-11-16(23(24)25)17(21-18)20-14-6-7-14/h3-5,8-9,11,14H,1,6-7,10,12H2,2H3,(H,19,20,21)