6-methoxy-N-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: 6-methoxy-N-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C16H16N6O3S/c1-25-10-4-5-11-12(8-10)26-16(19-11)20-14-13(22(23)24)15(18-9-17-14)21-6-2-3-7-21/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18,19,20)