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

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S/c1-26-10-4-5-12-13(7-10)28-17(21-12)22-16-14(23(24)25)15(19-9-20-16)18-8-11-3-2-6-27-11/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,18,19,20,21,22)