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

Systemtic Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4,N4-dibenzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: [6-(allylamino)-5-nitro-pyrimidin-4-yl]-dibenzyl-amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O2/c1-2-13-22-20-19(26(27)28)21(24-16-23-20)25(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h2-12,16H,1,13-15H2,(H,22,23,24)