1-(2,2-diphenylethyl)-3-[4-[2-methoxy-4-(2-oxidanylidenepropyl)phenoxy]pyrimidin-5-yl]thiourea

Systemtic Name: 1-(2,2-diphenylethyl)-3-[4-[2-methoxy-4-(2-oxidanylidenepropyl)phenoxy]pyrimidin-5-yl]thiourea Openeye Name: 1-[4-(4-acetonyl-2-methoxy-phenoxy)pyrimidin-5-yl]-3-(2,2-diphenylethyl)thiourea CAS Name: 1-(2,2-diphenylethyl)-3-[4-[2-methoxy-4-(2-oxopropyl)phenoxy]-5-pyrimidinyl]thiourea IUPAC Name: 1-(2,2-diphenylethyl)-3-[4-[2-methoxy-4-(2-oxopropyl)phenoxy]pyrimidin-5-yl]thiourea Traditional Name: 1-[4-(4-acetonyl-2-methoxy-phenoxy)pyrimidin-5-yl]-3-(2,2-diphenylethyl)thiourea Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC(=C(C=C1)OC2=NC=NC=C2NC(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CC(=O)CC1=CC(=C(C=C1)OC2=NC=NC=C2NC(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H28N4O3S/c1-20(34)15-21-13-14-26(27(16-21)35-2)36-28-25(18-30-19-32-28)33-29(37)31-17-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,16,18-19,24H,15,17H2,1-2H3,(H2,31,33,37)