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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2S/c1-4-7-12-25-17(21)16(18(26)23-19(25)27)24(11-5-2)20(28)22-15-10-8-9-14(6-3)13-15/h8-10,13H,4-7,11-12,21H2,1-3H3,(H,22,28)(H,23,26,27)