[(Z)-[azanyl-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]methylidene]amino] 2-chloranylbenzoate

Systemtic Name: [(Z)-[azanyl-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]methylidene]amino] 2-chloranylbenzoate Openeye Name: [(Z)-[amino-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)methylene]amino] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(Z)-[amino-[2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinyl]methylidene]amino] ester IUPAC Name: [(Z)-[amino-(3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methylidene]amino] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(Z)-[amino-(3-benzyl-1-isopropyl-2,4-diketo-pyrimidin-5-yl)methylene]amino] ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=NOC(=O)C3=CC=CC=C3Cl)N

Isomeric SMILES

CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)/C(=N/OC(=O)C3=CC=CC=C3Cl)/N

InChI

InChI=1S/C22H21ClN4O4/c1-14(2)26-13-17(19(24)25-31-21(29)16-10-6-7-11-18(16)23)20(28)27(22(26)30)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H2,24,25)