6-[10,15-bis[3-butyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-20-(4-tert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-1-butyl-pyrimidine-2,4-dione

Systemtic Name: 6-[10,15-bis[3-butyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-20-(4-tert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-1-butyl-pyrimidine-2,4-dione Openeye Name: 6-[10,15-bis(3-butyl-2,6-dioxo-pyrimidin-4-yl)-20-(4-tert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-[10,15-bis(3-butyl-2,6-dioxo-4-pyrimidinyl)-20-(4-tert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-1-butylpyrimidine-2,4-dione IUPAC Name: 6-[10,15-bis(3-butyl-2,6-dioxopyrimidin-4-yl)-20-(4-tert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-1-butylpyrimidine-2,4-dione Traditional Name: 6-[10,15-bis(3-butyl-2,6-diketo-pyrimidin-4-yl)-20-(4-tert-butylphenyl)-21,24-dihydroporphin-5-yl]-1-butyl-pyrimidine-2,4-quinone Formula: C54H56N10O6 MolecularWeight: 941.08584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=O)NC1=O)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=O)NC(=O)N7CCCC)C8=CC(=O)NC(=O)N8CCCC)C9=CC=C(C=C9)C(C)(C)C)N3

Isomeric SMILES

CCCCN1C(=CC(=O)NC1=O)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=O)NC(=O)N7CCCC)C8=CC(=O)NC(=O)N8CCCC)C9=CC=C(C=C9)C(C)(C)C)N3

InChI

InChI=1S/C54H56N10O6/c1-7-10-25-62-41(28-44(65)59-51(62)68)48-35-19-17-33(55-35)47(31-13-15-32(16-14-31)54(4,5)6)34-18-20-36(56-34)49(42-29-45(66)60-52(69)63(42)26-11-8-2)38-22-24-40(58-38)50(39-23-21-37(48)57-39)43-30-46(67)61-53(70)64(43)27-12-9-3/h13-24,28-30,55-56H,7-12,25-27H2,1-6H3,(H,59,65,68)(H,60,66,69)(H,61,67,70)