N-(1H-indazol-6-yl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine

Systemtic Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine IUPAC Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: (8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-yl)-(1H-indazol-6-yl)amine Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(N=CN=C3S2)NC4=CC5=C(C=C4)C=NN5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(N=CN=C3S2)NC4=CC5=C(C=C4)C=NN5)OC

InChI

InChI=1S/C20H18N6O2S/c1-27-15-5-12-8-21-18-19(25-13-4-3-11-9-24-26-14(11)6-13)22-10-23-20(18)29-17(12)7-16(15)28-2/h3-7,9-10,21H,8H2,1-2H3,(H,24,26)(H,22,23,25)