2-(4-tert-butylphenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 2-(4-tert-butylphenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(4-tert-butylphenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(4-tert-butylphenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(4-tert-butylphenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(4-tert-butylphenyl)-3-(3-methoxypropyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCCOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCCOC

InChI

InChI=1S/C25H26N2O3S/c1-25(2,3)17-12-10-16(11-13-17)22-26-23-20(24(29)27(22)14-7-15-30-4)21(28)18-8-5-6-9-19(18)31-23/h5-6,8-13H,7,14-15H2,1-4H3