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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H21N7O3S MolecularWeight: 415.46944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N7O3S/c26-25(27)15-16(19-6-3-7-24-8-10-28-11-9-24)20-12-21-17(15)23-18-22-13-4-1-2-5-14(13)29-18/h1-2,4-5,12H,3,6-11H2,(H2,19,20,21,22,23)