4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yl-quinazoline

Systemtic Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yl-quinazoline Openeye Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(3-thienyl)quinazoline CAS Name: 4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(3-thiophenyl)quinazoline IUPAC Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline Traditional Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(3-thienyl)quinazoline Formula: C22H20N8S MolecularWeight: 428.5128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CSC=C6

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CSC=C6

InChI

InChI=1S/C22H20N8S/c1-28-20-17(12-25-28)21(24-14-23-20)29-7-9-30(10-8-29)22-16-4-2-3-5-18(16)26-19(27-22)15-6-11-31-13-15/h2-6,11-14H,7-10H2,1H3