5-nitro-N4-(3-phenylpropyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(3-phenylpropyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-phenylpropyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-phenylpropyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(3-phenylpropyl)amine Formula: C13H15N5O2 MolecularWeight: 273.2905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C13H15N5O2/c14-12-11(18(19)20)13(17-9-16-12)15-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H3,14,15,16,17)