1-phenyl-3-[4-(1,3,5-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]urea

Systemtic Name: 1-phenyl-3-[4-(1,3,5-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]urea Openeye Name: 1-phenyl-3-[4-(1,3,5-trimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]urea CAS Name: 1-phenyl-3-[4-(1,3,5-trimethyl-7-oxo-6-pyrazolo[4,3-d]pyrimidinyl)phenyl]urea IUPAC Name: 1-phenyl-3-[4-(1,3,5-trimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)phenyl]urea Traditional Name: 1-[4-(7-keto-1,3,5-trimethyl-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]-3-phenyl-urea Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)C)C

InChI

InChI=1S/C21H20N6O2/c1-13-18-19(26(3)25-13)20(28)27(14(2)22-18)17-11-9-16(10-12-17)24-21(29)23-15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,23,24,29)