1-[6-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]hexyl]-3-phenyl-thiourea

Systemtic Name: 1-[6-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]hexyl]-3-phenyl-thiourea Openeye Name: 1-[6-[[6-methoxy-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]amino]hexyl]-3-phenyl-thiourea CAS Name: 1-[6-[[6-methoxy-2-[(E)-2-(2-pyridinyl)ethenyl]-4-quinazolinyl]amino]hexyl]-3-phenylthiourea IUPAC Name: 1-[6-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]hexyl]-3-phenylthiourea Traditional Name: 1-[6-[[6-methoxy-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]amino]hexyl]-3-phenyl-thiourea Formula: C29H32N6OS MolecularWeight: 512.66898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NCCCCCCNC(=S)NC3=CC=CC=C3)C=CC4=CC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NCCCCCCNC(=S)NC3=CC=CC=C3)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C29H32N6OS/c1-36-24-15-16-26-25(21-24)28(35-27(34-26)17-14-22-11-7-10-18-30-22)31-19-8-2-3-9-20-32-29(37)33-23-12-5-4-6-13-23/h4-7,10-18,21H,2-3,8-9,19-20H2,1H3,(H,31,34,35)(H2,32,33,37)/b17-14+