3-methyl-8-[(2Z)-2-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)hydrazinyl]-7-[(1S)-1-phenylethyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2Z)-2-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)hydrazinyl]-7-[(1S)-1-phenylethyl]purine-2,6-dione Openeye Name: 8-[(2Z)-2-(1-allyl-2-oxo-indolin-3-ylidene)hydrazino]-3-methyl-7-[(1S)-1-phenylethyl]purine-2,6-dione CAS Name: 3-methyl-8-[(2Z)-2-(2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-7-[(1S)-1-phenylethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-[(2Z)-2-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinyl]-7-[(1S)-1-phenylethyl]purine-2,6-dione Traditional Name: 8-[(N'Z)-N'-(1-allyl-2-keto-indolin-3-ylidene)hydrazino]-3-methyl-7-[(1S)-1-phenylethyl]xanthine Formula: C25H23N7O3 MolecularWeight: 469.49522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2NN=C4C5=CC=CC=C5N(C4=O)CC=C)N(C(=O)NC3=O)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C3=C(N=C2N/N=C\4/C5=CC=CC=C5N(C4=O)CC=C)N(C(=O)NC3=O)C

InChI

InChI=1S/C25H23N7O3/c1-4-14-31-18-13-9-8-12-17(18)19(23(31)34)28-29-24-26-21-20(22(33)27-25(35)30(21)3)32(24)15(2)16-10-6-5-7-11-16/h4-13,15H,1,14H2,2-3H3,(H,26,29)(H,27,33,35)/b28-19-/t15-/m0/s1