4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C24H21N5S2 MolecularWeight: 443.58704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)C4=C5C(=CSC5=NC=N4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)C4=C5C(=CSC5=NC=N4)C6=CC=CC=C6

InChI

InChI=1S/C24H21N5S2/c1-2-7-17(8-3-1)18-15-30-23-21(18)22(25-16-26-23)28-11-6-12-29(14-13-28)24-27-19-9-4-5-10-20(19)31-24/h1-5,7-10,15-16H,6,11-14H2