N2-[3-(1,3-benzothiazol-2-yl)propyl]-N4-cyclopropyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(1,3-benzothiazol-2-yl)propyl]-N4-cyclopropyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[3-(1,3-benzothiazol-2-yl)propyl]-N4-cyclopropyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(1,3-benzothiazol-2-yl)propyl]-N4-cyclopropyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(1,3-benzothiazol-2-yl)propyl]-4-N-cyclopropyl-5-nitropyrimidine-2,4-diamine Traditional Name: 3-(1,3-benzothiazol-2-yl)propyl-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18N6O2S/c24-23(25)13-10-19-17(22-16(13)20-11-7-8-11)18-9-3-6-15-21-12-4-1-2-5-14(12)26-15/h1-2,4-5,10-11H,3,6-9H2,(H2,18,19,20,22)