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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-(3-methylphenyl)-1-propyl-thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-(m-tolyl)-1-propyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-(3-methylphenyl)-1-propylthiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(3-methylphenyl)-1-propylthiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-(m-tolyl)-1-propyl-thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H25N5O2S/c1-3-12-26(22(30)24-17-11-7-8-15(2)13-17)18-19(23)27(21(29)25-20(18)28)14-16-9-5-4-6-10-16/h4-11,13H,3,12,14,23H2,1-2H3,(H,24,30)(H,25,28,29)