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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-(phenylmethyl)-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-benzyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-1-(phenylmethyl)-3-prop-2-enylthiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-benzyl-thiourea Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

C=CCNC(=S)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H23N5O2S/c1-2-13-24-22(30)26(14-16-9-5-3-6-10-16)18-19(23)27(21(29)25-20(18)28)15-17-11-7-4-8-12-17/h2-12H,1,13-15,23H2,(H,24,30)(H,25,28,29)