N4-(1-adamantyl)-N6-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C21H22N6O2S/c28-27(29)17-18(25-20-24-15-3-1-2-4-16(15)30-20)22-11-23-19(17)26-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H2,22,23,24,25,26)