1-[4-(6-azanylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one

Systemtic Name: 1-[4-(6-azanylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one Openeye Name: 1-[4-(6-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one CAS Name: 1-[4-(6-amino-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-4-(1-benzotriazolyloxy)-1-butanone IUPAC Name: 1-[4-(6-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one Traditional Name: 1-[4-(6-aminothieno[2,3-d]pyrimidin-4-yl)piperazino]-4-(benzotriazol-1-yloxy)butan-1-one Formula: C20H22N8O2S MolecularWeight: 438.50608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(SC3=NC=N2)N)C(=O)CCCON4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=C3C=C(SC3=NC=N2)N)C(=O)CCCON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H22N8O2S/c21-17-12-14-19(22-13-23-20(14)31-17)27-9-7-26(8-10-27)18(29)6-3-11-30-28-16-5-2-1-4-15(16)24-25-28/h1-2,4-5,12-13H,3,6-11,21H2