N-cyclopropyl-5-nitro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-5-nitro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine Openeye Name: N-cyclopropyl-5-nitro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine CAS Name: N-cyclopropyl-5-nitro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-4-pyrimidinamine IUPAC Name: N-cyclopropyl-5-nitro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]pyrimidin-4-yl]amine Formula: C12H15N7O2S MolecularWeight: 321.3582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C12H15N7O2S/c1-2-3-9-15-12(18-17-9)22-11-13-6-8(19(20)21)10(16-11)14-7-4-5-7/h6-7H,2-5H2,1H3,(H,13,14,16)(H,15,17,18)