5-nitro-N4-(phenylmethyl)-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-benzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C14H15N5O2/c1-2-8-15-13-12(19(20)21)14(18-10-17-13)16-9-11-6-4-3-5-7-11/h2-7,10H,1,8-9H2,(H2,15,16,17,18)