6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)pyrimidin-4-amine; (E)-but-2-enedioate

Systemtic Name: 6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)pyrimidin-4-amine; (E)-but-2-enedioate Openeye Name: (E)-but-2-enedioate; N,N-diallyl-6-[4-(benzothiophen-2-ylmethyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 6-[4-(1-benzothiophen-2-ylmethyl)-1-piperazinyl]-N,N-bis(prop-2-enyl)-4-pyrimidinamine; (E)-2-butenedioate IUPAC Name: 6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)pyrimidin-4-amine; (E)-but-2-enedioate Traditional Name: diallyl-[6-[4-(benzothiophen-2-ylmethyl)piperazino]pyrimidin-4-yl]amine fumarate Formula: C27H29N5O4S-2 MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=NC=NC(=C1)N2CCN(CC2)CC3=CC4=CC=CC=C4S3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C=CCN(CC=C)C1=NC=NC(=C1)N2CCN(CC2)CC3=CC4=CC=CC=C4S3.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C23H27N5S.C4H4O4/c1-3-9-27(10-4-2)22-16-23(25-18-24-22)28-13-11-26(12-14-28)17-20-15-19-7-5-6-8-21(19)29-20;5-3(6)1-2-4(7)8/h3-8,15-16,18H,1-2,9-14,17H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+