3-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-[(2-phenylazanylpyrimidin-4-yl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-[(2-phenylazanylpyrimidin-4-yl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(2-anilinopyrimidin-4-yl)amino]-4-[[(1R)-1,2,2-trimethylpropyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[(2-anilino-4-pyrimidinyl)amino]-4-[[(2R)-3,3-dimethylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(2-anilinopyrimidin-4-yl)amino]-4-[[(2R)-3,3-dimethylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(2-anilinopyrimidin-4-yl)amino]-4-[[(1R)-1,2,2-trimethylpropyl]amino]cyclobut-3-ene-1,2-quinone Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC1=C(C(=O)C1=O)NC2=NC(=NC=C2)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(C)(C)C)NC1=C(C(=O)C1=O)NC2=NC(=NC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2/c1-12(20(2,3)4)22-15-16(18(27)17(15)26)24-14-10-11-21-19(25-14)23-13-8-6-5-7-9-13/h5-12,22H,1-4H3,(H2,21,23,24,25)/t12-/m1/s1