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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-phenethyl-1-propyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-phenethyl-1-propyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-phenethyl-1-propylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-phenethyl-1-propylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-phenethyl-1-propyl-thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=S)NCCC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=S)NCCC2=CC=CC=C2)N

InChI

InChI=1S/C20H29N5O2S/c1-3-5-14-25-17(21)16(18(26)23-19(25)27)24(13-4-2)20(28)22-12-11-15-9-7-6-8-10-15/h6-10H,3-5,11-14,21H2,1-2H3,(H,22,28)(H,23,26,27)