N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4/c25-24(26)17-18(20-11-13-4-2-1-3-5-13)21-12-22-19(17)23-14-6-7-15-16(10-14)28-9-8-27-15/h1-7,10,12H,8-9,11H2,(H2,20,21,22,23)