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

Systemtic Name: 5-nitro-N4-prop-2-enyl-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-allyl-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-prop-2-enyl-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-prop-2-enyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)NCCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)NCCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S/c1-2-6-14-12-11(18(19)20)13(17-9-16-12)15-7-5-10-4-3-8-21-10/h2-4,8-9H,1,5-7H2,(H2,14,15,16,17)