N-(furan-2-ylmethyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-[6-methoxy-7-[2-(1-pyrrolidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-[6-methoxy-7-(2-pyrrolidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C25H32N6O3S MolecularWeight: 496.62498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CO4)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CO4)OCCN5CCCC5

InChI

InChI=1S/C25H32N6O3S/c1-32-22-15-20-21(16-23(22)34-14-12-29-6-2-3-7-29)27-18-28-24(20)30-8-10-31(11-9-30)25(35)26-17-19-5-4-13-33-19/h4-5,13,15-16,18H,2-3,6-12,14,17H2,1H3,(H,26,35)