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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-(furan-2-ylmethyl)-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-(2-furylmethyl)thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-1-(2-furanylmethyl)-3-prop-2-enylthiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-(2-furfuryl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N(CC1=CC=CO1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

C=CCNC(=S)N(CC1=CC=CO1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N5O3S/c1-2-10-22-20(29)24(13-15-9-6-11-28-15)16-17(21)25(19(27)23-18(16)26)12-14-7-4-3-5-8-14/h2-9,11H,1,10,12-13,21H2,(H,22,29)(H,23,26,27)