1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-methyl-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-methyl-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-methyl-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-methyl-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-methyl-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-methyl-3-(4-phenoxyphenyl)thiourea Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)N

InChI

InChI=1S/C22H25N5O3S/c1-3-4-14-27-19(23)18(20(28)25-21(27)29)26(2)22(31)24-15-10-12-17(13-11-15)30-16-8-6-5-7-9-16/h5-13H,3-4,14,23H2,1-2H3,(H,24,31)(H,25,28,29)