6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-N2,N4-bis(prop-2-enyl)pyrimidine-2,4-diamine

Systemtic Name: 6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-N2,N4-bis(prop-2-enyl)pyrimidine-2,4-diamine Openeye Name: N2,N4-diallyl-6-[4-(benzothiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine CAS Name: 6-[4-(1-benzothiophen-2-ylmethyl)-1-piperazinyl]-N2,N4-bis(prop-2-enyl)pyrimidine-2,4-diamine IUPAC Name: 6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine Traditional Name: allyl-[2-(allylamino)-6-[4-(benzothiophen-2-ylmethyl)piperazino]pyrimidin-4-yl]amine Formula: C23H28N6S MolecularWeight: 420.57362

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=C1)N2CCN(CC2)CC3=CC4=CC=CC=C4S3)NCC=C

Isomeric SMILES

C=CCNC1=NC(=NC(=C1)N2CCN(CC2)CC3=CC4=CC=CC=C4S3)NCC=C

InChI

InChI=1S/C23H28N6S/c1-3-9-24-21-16-22(27-23(26-21)25-10-4-2)29-13-11-28(12-14-29)17-19-15-18-7-5-6-8-20(18)30-19/h3-8,15-16H,1-2,9-14,17H2,(H2,24,25,26,27)